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arXiv:cond-mat/0409310 · Physical Review B

Thermal and magnetic properties of spin-1 magnetic chain compounds with large single-ion and in-plane anisotropies

Murray T. Batchelor, Xi‐Wen Guan, N. Oelkers

Published Nov 5, 2004• 18 citations
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Abstract

The thermal and magnetic properties of spin-1 magnetic chain compounds with large single-ion and in-plane anisotropies are investigated via the integrable $su(3)$ model in terms of the quantum transfer matrix method and the recently developed high temperature expansion method for exactly solved models. It is shown that large single-ion anisotropy may result in a singlet gapped phase in the spin-$1$ chain which is significantly different from the standard Haldane phase. A large in-plane anisotropy may destroy the gapped phase. On the other hand, in the vicinity of the critical point a weak in-plane anisotropy leads to a different phase transition than the Pokrovsky-Talapov transition. The magnetic susceptibility, specific heat, and magnetization evaluated from the free energy are in excellent agreement with the experimental data for the compounds ${\mathrm{Ni}(\mathrm{C}}_{2}{\mathrm{H}}_{8}{\mathrm{N}}_{2}{)}_{2}\mathrm{Ni}{(\mathrm{CN})}_{4}$ and ${\mathrm{Ni}(\mathrm{C}}_{10}{\mathrm{H}}_{8}{\mathrm{N}}_{2}{)}_{2}\mathrm{Ni}{(\mathrm{CN})}_{4}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathrm{H}}_{2}\mathrm{O}$.

DOI
10.1103/physrevb.70.184408

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The thermal and magnetic properties of spin-1 magnetic chain compounds with large single-ion and in-plane anisotropies are investigated via the integrable su(3)su(3)su(3) model in terms of the quantum transfer matrix method and the recently developed high temperature expansion method for exactly solved models. It is shown that large single-ion anisotropy may result in a singlet gapped phase in the spin-111 chain which is significantly different from the standard Haldane phase. A large in-plane anisotropy may destroy the gapped phase. On the other hand, in the vicinity of the critical point a weak in-plane anisotropy leads to a different phase transition than the Pokrovsky-Talapov transition. The magnetic susceptibility, specific heat, and magnetization evaluated from the free energy are in excellent agreement with the experimental data for the compounds Ni(C2H8N2)2Ni(CN)4{\mathrm{Ni}(\mathrm{C}}_{2}{\mathrm{H}}_{8}{\mathrm{N}}_{2}{)}_{2}\mathrm{Ni}{(\mathrm{CN})}_{4}Ni(C2​H8​N2​)2​Ni(CN)4​ and Ni(C10H8N2)2Ni(CN)4\ifmmode⋅\else\textperiodcentered\fiH2O{\mathrm{Ni}(\mathrm{C}}_{10}{\mathrm{H}}_{8}{\mathrm{N}}_{2}{)}_{2}\mathrm{Ni}{(\mathrm{CN})}_{4}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathrm{H}}_{2}\mathrm{O}Ni(C10​H8​N2​)2​Ni(CN)4​\ifmmode⋅\else\textperiodcentered\fiH2​O.
The ground state and thermodynamic properties of spin-1 and spin- chains are investigated via exactly solved su (3) and su (4) models with physically motivated chemical potential terms. The analysis involves the thermodynamic Bethe ansatz and the high temperature expansion (HTE) methods. For the spin-1 chain with large single-ion anisotropy, a gapped phase occurs which is significantly different from the valence-bond-solid Haldane phase. The theoretical curves for the magnetization, susceptibility and specific heat are favourably compared with experimental data for a number of spin-1 chain compounds. For the spin- chain a degenerate gapped phase exists starting at zero external magnetic field. A middle magnetization plateau can be triggered by the single-ion anisotropy term. Overall, our results lend further weight to the applicability of integrable models to the physics of low-dimensional quantum spin systems. They also highlight the utility of the exact HTE method.
By the numerical transfer-matrix method we have computed several thermal properties for a Heisenberg chain of 150 antiferromagnetically coupled spins with quantum number s = 1. We dispensed with any extrapolation to the infinite chain, because the results for the magnetization, the susceptibility, the correlation length, and the static structure factor at wave number q = π have been found to be insensitive to a further increase of the chain length in the temperature regime considered. The characteristic features of our results, that occur at sufficiently low temperatures and low applied fields, can convincingly be explained by the existence of a gap in the excitation spectrum of the order of 0.4 coupling constants and, therefore, nicely complement previous numerical results for corresponding ground-state properties. We have also performed computations for a chain with an additional single-site anisotropy. We find, for appropriate parameter values, excellent agreement with experimental data for the quasi-one-dimensional model compound NENP.
We investigate the thermal and magnetic properties of the integrable su(4)su(4)su(4) ladder model by means of the quantum transfer matrix method. The magnetic susceptibility, specific heat, magnetic entropy, and high field magnetization are evaluated from the free energy derived via the recently proposed method of high temperature expansion for exactly solved models. We show that the integrable model can be used to describe the physics of the strong coupling ladder compounds. Excellent agreement is seen between the theoretical results and the experimental data for the known ladder compounds $(5\mathrm{I}\mathrm{A}\mathrm{P}{)}_{2}{\mathrm{C}\mathrm{u}\mathrm{B}\mathrm{r}}_{4}\ifmmode\cdot\else\textperiodcentered\fi{}2{\mathrm{H}}_{2}\mathrm{O}$, Cu2(C5H12N2)2Cl4{\mathrm{C}\mathrm{u}}_{2}({\mathrm{C}}_{5}{\mathrm{H}}_{12}{\mathrm{N}}_{2}{)}_{2}{\mathrm{C}\mathrm{l}}_{4}Cu2​(C5​H12​N2​)2​Cl4​, etc.
We study a Heisenberg antiferromagnetic chain of spin S=1 with nearest-neighbor exchange interaction J and easy-plane single-ion anisotropy D. We follow the splitting of the Haldane gap into two components as a function of the anisotropy. Chains of length up to 16 sites are studied by a Lancz\"os method and longer chains up to 32 sites have been investigated by a quantum Monte Carlo simulation for D/J=0.10, 0.15, 0.20, and 0.25. A careful finite-size scaling treatment of our data leads to values that are directly relevant to the interpretation of experiments on Ni(C2{\mathrm{C}}_{2}C2​H8{\mathrm{H}}_{8}H8​N2{\mathrm{N}}_{2}N2​)2{)}_{2})2​NO2{\mathrm{NO}}_{2}NO2​ClO4{\mathrm{ClO}}_{4}ClO4​ (NENP). We discuss the relationship between our results and the magnetic-susceptibility measurements as well as the inelastic-neutron-scattering data and on the Haldane conjecture. Values are proposed for the parameters D and J in the case of NENP.
The quantum transfer-matrix method was applied to study the finite--temperature static properties of the spin S = 1 antiferromagnetic Heisen- berg chains in a wide range of the single-ion anisotropy and temperatures.The high-resolution quantum transfer-matrix simulation data are obtained for the zero-field susceptibility, specific heat as well as for the field-dependent magnetization.The microscopic parameters of a number of real quasi-one--dimensional compounds are found from fitting procedures, some theoretical approaches are numerically verified and an extension of the technique to a non-uniform bond alternating molecular magnets is ałso put forward.